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ChEBI
> Main
CHEBI:131804 - (
S
)-SKF 38393 hydrobromide
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ChEBI Name
(
S
)-SKF 38393 hydrobromide
ChEBI ID
CHEBI:131804
ChEBI ASCII Name
(S)-SKF 38393 hydrobromide
Definition
A hydrobromide obtained by combining (
S
)-SKF 38393 with one molar equivalent of hydrogen bromide.
Stars
This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Molfile
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Molfile
Formula
C16H18BrNO2
Net Charge
0
Average Mass
336.224
Monoisotopic Mass
335.05209
InChI
InChI=1S/C16H17NO2.BrH/c18-
15-
8-
12-
6-
7-
17-
10-
14(13(12)
9-
16(15)
19)
11-
4-
2-
1-
3-
5-
11;/h1-
5,8-
9,14,17-
19H,6-
7,10H2;1H/t14-
;/m0./s1
InChIKey
INNWVRBZMBCEJI-UQKRIMTDSA-N
SMILES
Br.C1CNC[C@H](C2=C1C=C(C(=C2)O)O)C3=CC=CC=C3
ChEBI Ontology
Outgoing
(
S
)-SKF 38393 hydrobromide (
CHEBI:131804
)
has part
(
S
)-SKF 38393(1+) (
CHEBI:131807
)
(
S
)-SKF 38393 hydrobromide (
CHEBI:131804
)
is a
hydrobromide (
CHEBI:48367
)
(
S
)-SKF 38393 hydrobromide (
CHEBI:131804
)
is enantiomer of
(
R
)-SKF 38393 hydrobromide (
CHEBI:131805
)
Incoming
SKF 38393 hydrobromide (
CHEBI:131802
)
has part
(
S
)-SKF 38393 hydrobromide (
CHEBI:131804
)
(
R
)-SKF 38393 hydrobromide (
CHEBI:131805
)
is enantiomer of
(
S
)-SKF 38393 hydrobromide (
CHEBI:131804
)
IUPAC Names
(1
S
)-1-phenyl-2,3,4,5-tetrahydro-1
H
-3-benzazepine-7,8-diol hydrobromide
(1
S
)-7,8-dihydroxy-1-phenyl-2,3,4,5-tetrahydro-1
H
-3-benzazepin-3-ium bromide
Synonyms
Sources
(
S
)-SKF 38393.HBr
ChEBI
(
S
)-SKF-38393 hydrobromide
ChEBI
(
S
)-SKF-38393.HBr
ChEBI
Registry Number
Type
Source
10731612
Reaxys Registry Number
Reaxys
Last Modified
21 April 2016